0 B9R1.6 CC(c1ccccn1)N EB60111 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(c1ccccn1)O EB60161 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(c1cccnc1)N EB60112 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(c1cccnc1)O EB60160 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 CC(c1ccncc1)N EB60113 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(c1ccncc1)O EB60159 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 c1cc(cnc1)C(=N)N EB12024 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 c1ccnc(c1)C(=N)N EB12023 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 c1cnc(cn1)C(=N)N EB12079 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 c1cnc(cn1)C(=O)Cl EB15016 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 c1cnccc1C(=N)N EB12025 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 Cc1ccc(cc1)C(=N)N EB12011 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 Cc1cnc(cn1)C(=O)Cl EB15017 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 c1cc(ccc1C(=N)N)Br EB12004 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 c1cc(ccc1C(=N)N)Cl EB12029 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 c1cc(ccc1C(=N)N)F EB12014 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.15 CC(c1ccccc1)NO EB60372 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.15 CC(c1cccnc1)NO EB60375 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.15 C\C(=N\O)\c1ccccn1 EB60142 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.15 C\C(=N\O)\c1cccnc1 EB60141 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 C\C(=N\O)\c1ccncc1 EB60140 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.15 c1ccc(cc1)C(=O)CN EB60794 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.15 c1ccc(cc1)C(=O)CS EB61534 [0,1,0,0,0,0|0,1,0]=2 23 B10R1.15 c1ccc(cc1)C(CN)N EB60239 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.15 c1ccc(cc1)C(CS)O EB61535 [0,1,0,0,0,0|0,1,1]=3 25 B10R1.61 c1ccc(c(c1)C(=N)N)F EB12007 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.113 Cc1cccc(c1)C(=N)N EB12010 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.113 c1cc(cc(c1)Br)C(=N)N EB12034 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 c1cc(cc(c1)Cl)C(=N)N EB12019 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 c1cc(cc(c1)F)C(=N)N EB12060 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.7 CC(=O)c1cc[nH]c1 EB60661 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.7 c1cc(sc1)C(=N)N EB12026 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.18 c1ccc(cc1)CC(=N)N EB12037 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.18 c1ccnc(c1)NC(=S)N EB60767 [0,0,0,0,0,1|2,1,0]=4 34 B9R1.11 CNC(=O)c1cccs1 EB60998 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.11 c1cc(sc1)C(=O)C[NH3+] EB61215 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.20 Cc1ccc(cc1)CC(=N)N EB12145 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.20 Cc1ccc(cc1)CC(=O)Cl EB15006 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.20 c1cc(ccc1CC(=N)N)Br EB12082 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.20 c1cc(ccc1CC(=N)N)Cl EB12038 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.20 c1cc(ccc1CC(=N)N)F EB12040 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.20 c1cc(ccc1CC(=O)Cl)Br EB15029 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.40 c1ccc(cc1)CC(=O)CCl EB15200 [0,1,0,0,0,1|1,0,0]=3 43 B11R1.86 Cc1ccccc1CC(=N)N EB12048 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.86 Cc1ccccc1CC(=O)Cl EB15014 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl EB12093 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.86 c1ccc(c(c1)CC(=N)N)F EB12046 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.157 Cc1cccc(c1)CC(=N)N EB12049 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.157 Cc1cccc(c1)CC(=O)Cl EB15005 [0,1,0,0,0,1|1,0,0]=3 49 B11R1.157 c1cc(cc(c1)Cl)CC(=N)N EB12087 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl EB15003 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.3 COc1ccc(cc1)C(=N)N EB12012 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.21 Cc1ccc(cc1C)C(=O)Cl EB15015 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.22 CNC(=O)c1ccc(cc1)N EB61597 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.22 Cc1ccc(cc1)C(=O)C[NH3+] EB60798 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.22 c1cc(ccc1C(=O)C[NH3+])F EB60797 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl EB15022 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.12 c1ccc(cc1)\C(=N\O)\CN EB60818 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.16 c1ccc(cc1)C(=O)N=C=S KEMIT003 [0,2,0,0,0,0|0,1,0]=3 59 B11R1.159 c1cc(c(c(c1)N)Br)C(=O)O EB61481 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.159 c1cc(c(c(c1)N)I)C(=O)O EB61480 [0,2,0,0,0,0|0,0,0]=2 61 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O EB60703 [0,2,0,0,0,0|0,0,0]=2 62 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl EB15033 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.266 CCc1cc(ccn1)C(=O)N EB61237 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.266 COc1cccc(c1)C(=N)N EB12016 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N EB15013 [0,2,0,0,0,0|1,0,0]=3 66 B11R2.10 c1ccc2c(c1)nc(o2)N EB33786 [0,0,0,1,0,1|1,0,0]=3 67 B11R2.10 c1ccc2c(c1)nc(o2)S EB33761 [0,0,0,1,0,1|0,1,0]=3 68 B11R1.91 c1cc(cnc1)C#CC(=O)O EB11269 [0,0,0,0,0,2|1,0,0]=3 69 B11R1.91 c1ccc(cc1)CSC(=N)N EB33079 [0,0,0,0,0,2|2,0,0]=4 70 B11R1.91 c1cnccc1C#CC(=O)O EB11268 [0,0,0,0,0,2|1,0,0]=3